Quantum Mechanical Studies of Interacting Modes in Molecules and Solids

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This grant, in the Theoretical and Computational Chemistry Program, supports theoretical research to study the dynamics and relaxation of molecules and solids at low temperatures. Problems in relaxation of excitons, excitation transport in disordered systems, and the effect of strong coupling to a constant temperature reservoir on tunneling will be addressed. The significance of the work lies in the fundamental insights into the structure and properties of crystalline materials and their interactions with light of various frequencies or colors. These insights will be extended to include glassy solids, which do not have the degree of regular arrangement found in crystals. The ways in which energy is absorbed by these materials is a particular focus of this project. The results will be of direct value to groups performing experiments on these materials.